SCHEMBL4074306

SCHEMBL4074306

N[N+]12C=CN=CC1=C(C1=CC=C1)N=C2c1ccc2ccc(-c3cccs3)nc2c1Cl

nearest known ligand 0.30

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
PPARG P37231 1/20 0.30
RAB9A P51151 1/20 0.30
NCOA2 Q15596 1/20 0.30
NCOA1 Q15788 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
NCOA3 Q9Y6Q9 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL398802 0.90 KDM4E (0.30) KDM4EMAPTPPARGRAB9ANCOA2
SCHEMBL399408 0.85 KDM4E (0.32) KDM4ERAB9A
SCHEMBL4072214 0.83
SCHEMBL4061865 0.81 KDM4E (0.32) KDM4ERAB9A
SCHEMBL4074225 0.79
SCHEMBL5175027 0.78 KDM4E (0.30) KDM4EMAPTPPARGRAB9ANCOA2
SCHEMBL4072758 0.75
SCHEMBL402610 0.75
SCHEMBL4072094 0.74
SCHEMBL401396 0.74 NPC1 (0.31) RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168968-B1 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS LLC (US) 2017-08-23 EP claimed
EP-1740591-B1 6,6-BICYCLIC RING SUBSTITUTED HETEROBICYCLIC PROTEIN KINASE INHIBITORS OSI PHARM INC (US) 2009-06-17 EP claimed